ChemSpider 2D Image | (3Z,5E,8S,9E,11E,14S,16R,17E,19E,24R)-14,16-Dihydroxy-24-methyl-2-oxooxacyclotetracosa-3,5,9,11,17,19-hexaen-8-yl beta-L-glucopyranoside | C30H44O10

(3Z,5E,8S,9E,11E,14S,16R,17E,19E,24R)-14,16-Dihydroxy-24-methyl-2-oxooxacyclotetracosa-3,5,9,11,17,19-hexaen-8-yl β-L-glucopyranoside

  • Molecular FormulaC30H44O10
  • Average mass564.664 Da
  • Monoisotopic mass564.293457 Da
  • ChemSpider ID23310174

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(3Z,5E,8S,9E,11E,14S,16R,17E,19E,24R)-14,16-Dihydroxy-24-methyl-2-oxooxacyclotetracosa-3,5,9,11,17,19-hexaen-8-yl β-L-glucopyranoside [ACD/IUPAC Name]
(3Z,5E,8S,9E,11E,14S,16R,17E,19E,24R)-14,16-Dihydroxy-24-methyl-2-oxooxacyclotetracosa-3,5,9,11,17,19-hexaen-8-yl-β-L-glucopyranosid [German] [ACD/IUPAC Name]
Oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one, 8-(β-L-glucopyranosyloxy)-14,16-dihydroxy-24-methyl-, (3Z,5E,8S,9E,11E,14S,16R,17E,19E,24R)- [ACD/Index Name]
β-L-Glucopyranoside de (3Z,5E,8S,9E,11E,14S,16R,17E,19E,24R)-14,16-dihydroxy-24-méthyl-2-oxooxacyclotétracosa-3,5,9,11,17,19-hexaén-8-yle [French] [ACD/IUPAC Name]
CHEMBL399871
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL399871/
macrolactin R

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 822.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 136.1±6.0 kJ/mol
Flash Point: 263.1±27.8 °C
Index of Refraction: 1.592
Molar Refractivity: 150.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 3
ACD/LogP: 0.99
ACD/LogD (pH 5.5): 0.87
ACD/BCF (pH 5.5): 2.71
ACD/KOC (pH 5.5): 71.03
ACD/LogD (pH 7.4): 0.87
ACD/BCF (pH 7.4): 2.71
ACD/KOC (pH 7.4): 71.03
Polar Surface Area: 166 Å2
Polarizability: 59.7±0.5 10-24cm3
Surface Tension: 61.7±5.0 dyne/cm
Molar Volume: 445.4±5.0 cm3

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